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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50343575'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50343575
PNG
(2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES CC(C(O)=O)c1ccc2OCc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
Show InChI InChI=1S/C30H37N5O5/c1-21(29(37)38)22-10-11-26-25(18-22)35(24-9-5-4-8-23(24)20-40-26)15-7-13-33-12-6-14-34(17-16-33)27-19-28(36)32(3)30(39)31(27)2/h4-5,8-11,18-19,21H,6-7,12-17,20H2,1-3H3,(H,37,38)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 128n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair